UCSF

ZINC06143939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 34 No

Other Names:

MFCD03016802

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 -0.87 -50.57 2 8 1 89 467.542 9
Mid Mid (pH 6-8) 2.05 -0.99 -60.06 1 8 1 86 467.542 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )